SCHEMBL11184331

SCHEMBL11184331

COC(=O)CCCN1CC2NCCc3c2n(c2ccccc32)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ BRD3 Q15059 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ REN P00797 1/20 0.33
▸ HTR4 Q13639 3/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR2B P41595 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11190506 0.84 ALDH1A1 (0.37) CNR2ALDH1A1KDM4EBRD4LMNA
SCHEMBL11178985 0.81 ALDH1A1 (0.42) ALDH1A1KDM4ELMNACHRM2ADRA2B
SCHEMBL11185140 0.81 HSD17B10 (0.39) ALDH1A1KDM4EBRD4LMNAHTR2A
SCHEMBL11190156 0.81 HSD17B10 (0.35) ALDH1A1KDM4EBRD4LMNACHRM2
SCHEMBL11180821 0.78 AKR1B10 (0.36) CNR2OPRM1OPRL1LMNA
SCHEMBL11187623 0.77 HSD17B10 (0.41) ALDH1A1KDM4EBRD4LMNACREBBP
SCHEMBL11185552 0.77 HPGD (0.38) ALDH1A1KDM4ERENHTR2AMEN1
SCHEMBL11187463 0.72 HSD17B10 (0.39) ALDH1A1KDM4ELMNACREBBPHTR2A
SCHEMBL11195470 0.70 KDM4E (0.39) CNR2ALDH1A1KDM4ECNR1LMNA
SCHEMBL11206732 0.68 MEN1 (0.38) ALDH1A1MEN1HPGDKMT2AHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4367230-A ANTIANOXIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1983-01-04 — — US disclosed
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